Detailed information for compound 1470928

Basic information

Technical information
  • TDR Targets ID: 1470928
  • Name: Ethyl 5-[(tert-butylamino)methyl]-4-chloro-3- methyl-1-benzofuran-2-carboxylate
  • MW: 323.814 | Formula: C17H22ClNO3
  • H donors: 1 H acceptors: 1 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1oc2c(c1C)c(Cl)c(cc2)CNC(C)(C)C
  • InChi: 1S/C17H22ClNO3/c1-6-21-16(20)15-10(2)13-12(22-15)8-7-11(14(13)18)9-19-17(3,4)5/h7-8,19H,6,9H2,1-5H3
  • InChiKey: IMAPRFVWUNXVBD-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-benzofuran-2-carboxylate
  • 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-2-benzofurancarboxylic acid ethyl ester
  • 5-[(tert-butylamino)methyl]-4-chloro-3-methyl-benzofuran-2-carboxylic acid ethyl ester
  • Oprea1_208309
  • 5-(tert-Butylamino-methyl)-4-chloro-3-methyl-benzofuran-2-carboxylic acid ethyl
  • BAS 00379885
  • Benzofuran-2-carboxylic acid, 5-(tert-butylamino)methyl-4-chloro-3-methyl-, ethyl ester
  • Oprea1_095484
  • STK280021

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni tyrosine kinase 0.017 0.0578 0.1482
Echinococcus multilocularis epidermal growth factor receptor 0.0356 0.2249 0.4671
Echinococcus multilocularis insulin receptor 0.0139 0.0301 0.0585
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0439 0.2995 0.6254
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Loa Loa (eye worm) hypothetical protein 0.0117 0.0107 0.0224
Loa Loa (eye worm) sema domain-containing protein 0.0226 0.1081 0.2257
Echinococcus granulosus plexin a4 0.064 0.4789 0.4789
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0139 0.0301 0.0301
Onchocerca volvulus 0.0296 0.1706 0.2214
Schistosoma mansoni hypothetical protein 0.0226 0.1081 0.2771
Schistosoma mansoni plexin 0.0541 0.3902 1
Echinococcus multilocularis plexin a4 0.064 0.4789 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0356 0.2249 0.4695
Echinococcus granulosus semaphorin 5B 0.0226 0.1081 0.1081
Echinococcus granulosus epidermal growth factor receptor 0.0208 0.0924 0.0924
Echinococcus granulosus neuroglian 0.0108 0.0022 0.0022
Loa Loa (eye worm) plexin A 0.064 0.4789 1
Echinococcus granulosus roundabout 2 0.0117 0.0107 0.0107
Echinococcus granulosus epidermal growth factor receptor 0.0356 0.2249 0.2249
Loa Loa (eye worm) hypothetical protein 0.0117 0.0107 0.0224
Schistosoma mansoni tyrosine kinase 0.0139 0.0301 0.0771
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Brugia malayi hypothetical protein 0.0226 0.1081 0.1739
Schistosoma mansoni hypothetical protein 0.0315 0.1877 0.4811
Echinococcus multilocularis hypothetical protein 0.0226 0.1081 0.2222
Echinococcus multilocularis roundabout 2 0.0117 0.0107 0.018
Entamoeba histolytica protein kinase domain containing protein 0.0138 0.0289 0.5
Schistosoma mansoni tyrosine kinase 0.0356 0.2249 0.5763
Loa Loa (eye worm) hypothetical protein 0.0541 0.3902 0.8148
Schistosoma mansoni plexin 0.0315 0.1877 0.4811
Schistosoma mansoni hypothetical protein 0.0226 0.1081 0.2771
Brugia malayi Plexin repeat family protein 0.0541 0.3902 0.8024
Schistosoma mansoni tyrosine kinase 0.017 0.0578 0.1482
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Echinococcus multilocularis semaphorin 5B 0.0226 0.1081 0.2222
Entamoeba histolytica tyrosin kinase, putative 0.0138 0.0289 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0356 0.2249 0.434
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Brugia malayi hypothetical protein 0.0226 0.1081 0.1739
Loa Loa (eye worm) sema domain-containing protein 0.0226 0.1081 0.2257
Brugia malayi Immunoglobulin I-set domain containing protein 0.0439 0.2995 0.6003
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Brugia malayi Sema domain containing protein 0.0226 0.1081 0.1739
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0208 0.0924 0.0924
Loa Loa (eye worm) hypothetical protein 0.0315 0.1877 0.392
Echinococcus granulosus insulin receptor 0.0139 0.0301 0.0301
Schistosoma mansoni tyrosine kinase 0.017 0.0578 0.1482
Schistosoma mansoni nephrin 0.0108 0.0022 0.0056
Loa Loa (eye worm) TK/INSR protein kinase 0.0139 0.0301 0.0628
Schistosoma mansoni tyrosine kinase 0.0208 0.0924 0.2368
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0139 0.0301 0.0585
Loa Loa (eye worm) hypothetical protein 0.0226 0.1081 0.2257
Brugia malayi plexin A 0.064 0.4789 1
Brugia malayi Sema domain containing protein 0.0226 0.1081 0.1739
Onchocerca volvulus Tyrosine kinase homolog 0.0346 0.2159 0.382
Schistosoma mansoni semaphorin 5-related 0.0226 0.1081 0.2771
Echinococcus granulosus twitchin 0.0108 0.0022 0.0022
Echinococcus granulosus semaphorin 1A 0.0226 0.1081 0.1081
Schistosoma mansoni tyrosine kinase 0.0208 0.0924 0.2368
Echinococcus multilocularis epidermal growth factor receptor 0.0208 0.0924 0.1893
Onchocerca volvulus 0.0541 0.3902 1
Schistosoma mansoni tyrosine kinase 0.0139 0.0301 0.0771

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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